Glycoside
GD138198
Name:
({3,4-dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl}methoxy)phosphonic acidFormula:
C18H33O19PSmiles:
O=P(O)(O)OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
COP(=O)(O)OSugarmoiety:
OCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 12 | FractionCSP3: | 1.0 |
| AlogP: | -7.46 | Num_rotatable_bonds: | 9 |
| MolWt: | 584.42 | Num_heavy_atoms: | 38 |
| TPSA: | 315.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD00079
Formula: CH5O4P
Smiles:
COP(=O)(O)O| HBA: | 4 | RingCount: | 0 |
| HBD: | 2 | FractionCSP3: | 1.0 |
| AlogP: | -0.27 | Num_rotatable_bonds: | 1 |
| MolWt: | 112.02 | Num_heavy_atoms: | 6 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
